UCSF

ZINC37854728

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 14 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.65 -4.95 -39.89 4 5 1 70 205.278 6
Hi High (pH 8-9.5) -1.65 -6.43 -6.57 3 5 0 65 204.27 6
Mid Mid (pH 6-8) -1.65 -2.62 -101.54 5 5 2 71 206.286 6

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )